Geometry & MOs

Info

ID:	173472
PubChem CID:	75642558
Reduced:	SO2N5C22H33 (1)
Stoich.:	AB2C5D22E33 (1)
Weight, g/mol:	305.103851
ΔH_f, kcal/mol:	-56.87
Dipole, Da:	4.65
IP(EA), eV:	-9.27(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(6,7-dicyano-1,8-dimethyl-10-phenyl-2,9-dioxa-4-azatricyclo[4.3.1.03,7]dec-3-en-5-ylidene)azanide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1CCCCC1)SC2=NN=C3N2C4CCCCC4C(=O)N3CC=C

DOS

IR

Vibrations